From owner-chemistry@ccl.net Sun Apr 17 16:26:00 2011 From: "Arne Dieckmann adieckma*_*googlemail.com" To: CCL Subject: CCL: HF method Message-Id: <-44398-110417162532-19873-rGpBYstNKShNqp4m6kf/3Q++server.ccl.net> X-Original-From: Arne Dieckmann Content-Disposition: inline Content-Transfer-Encoding: 8bit Content-Type: text/plain; charset="utf-8" Date: Sun, 17 Apr 2011 22:25:16 +0200 MIME-Version: 1.0 Sent to CCL by: Arne Dieckmann [adieckma|a|googlemail.com] Dear Bonoit, please just have a look at the standard textbooks in the field. A quite comprehensive explanation can be found in Jensen's "Introduction to Computational Chemistry", a more detailed one in "Modern Quantum Chemistry" by Szabo and Ostlund. Arne ----------------------- Dr. Arne Dieckmann Bioorganic Chemistry (Room: NC 2/125) Ruhr-University Bochum Universitätsstraße 150 44780 Bochum, Germany phone: +49 234 3224216 email: adieckma]=[googlemail.com http://www.ruhr-uni-bochum.de/oc1/mitarbeiter/Arne-Dieckmann.html On Sunday, April 17, 2011 at 12:47 PM, bonoit bonoit bonoit_10!A!yahoo.fr wrote: > > Sent to CCL by: "bonoit bonoit" [bonoit_10__yahoo.fr] > Dear CCLers, > I'm writing to enquire about the exchange term (Kij) in the Hartree-Fock method. My question is as follow: > How c'd the exchange term reduce the energy in HF method? > And what c'd be the difference between this term and the coulombian one in the same method HF? > Thank you in advance > Sincerely, > Bonoit>